Basic information
- Standard SMILES
C=C(C)c1cc(C(=O)OC)cc(-c2ccc(C)cn2)n1- InChIKey
AWTRNZFNNBNGMR-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- Methyl 6-isopropenyl-5'-methyl-2,2'-bipyridine-4-carboxylate
- IUPAC
- methyl 2-(5-methyl-2-pyridinyl)-6-prop-1-en-2-ylpyridine-4-carboxylate
Names & synonyms
SCHEMBL2259555AWTRNZFNNBNGMR-UHFFFAOYSA-NDB-158719Methyl 6-isopropenyl-5'-methyl-2,2'-bipyridine-4-carboxylateMethyl 5'-methyl-6-(prop-1-en-2-yl)-[2,2'-bipyridine]-4-carboxylate1225462-61-2
Database identifiers
- PubChem CID
- 67337802
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
4 records
Compound notes
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